REMARK  Name = BDB055148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.244   0.149   1.325  0.00  0.00    +0.233 C 
ATOM      2  N   LIG    1       -0.798  -0.734   0.365  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        0.423  -1.516   0.598  0.00  0.00    +0.185 C 
ATOM      4  C   LIG    1        0.456  -2.518  -0.563  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.997  -2.622  -1.002  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.520  -1.210  -0.802  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.620   0.312   2.379  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.108   2.163   0.105  0.00  0.00    +0.033 C 
ATOM      9  C   LIG    1       -2.499   0.999   1.010  0.00  0.00    +0.135 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.091   1.489   2.272  0.00  0.00    -0.320 NA
ATOM     11  H   LIG    1       -2.324   1.596   2.946  0.00  0.00    +0.119 HD
ATOM     12  H   LIG    1       -3.482   2.419   2.142  0.00  0.00    +0.119 HD
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        1.734  -0.718   0.589  0.00  0.00    +0.328 C 
ATOM     14  O   LIG    1        2.826  -1.214   0.853  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   LIG    1        1.557   0.571   0.180  0.00  0.00    -0.452 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.769   1.314   0.045  0.00  0.00    +0.352 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.533   0.932  -1.210  0.00  0.00    +0.343 C 
ATOM     18  O   LIG    1        3.165   0.176  -2.096  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1        4.725   1.559  -1.299  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1        5.115   1.209  -2.128  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   3  13
TORSDOF 7